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N-(9-Fluorenylmethoxycarbonyloxy)succinimide

N-(9-Fluorenylmethoxycarbonyloxy)succinimide

CAS No. :82911-69-1MDL No. :MFCD00010733Formula :C19H15NO5Boiling Point :-Linear Structure Formula :C12H8CHCH2OCOONCOCH2

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CAS No. :82911-69-1 Brand :Qitai
Formula :C19H15NO5 M.W :337.33

Introduction

CAS No. :82911-69-1 MDL No. :MFCD00010733
Formula : C19H15NO5 Boiling Point : -
Linear Structure Formula :C12H8CHCH2OCOONCOCH2CH2CO InChI Key :WMSUFWLPZLCIHP-UHFFFAOYSA-N
M.W : 337.33 Pubchem ID :134122
Synonyms :
N-(Fmoc-oxy)succinimide;FMOC-Succinimide;N-(9-Fluorenylmethoxycarbonyloxy)succinimide
Chemical Name :N-(9-Fluorenylmethoxycarbonyloxy)succinimide

Physicochemical Properties

Num. heavy atoms : 25
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.21
Num. rotatable bonds : 5
Num. H-bond acceptors : 5.0
Num. H-bond donors : 0.0
Molar Refractivity : 91.59
TPSA : 72.91 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.41 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.28
Log Po/w (XLOGP3) : 2.75
Log Po/w (WLOGP) : 2.64
Log Po/w (MLOGP) : 2.88
Log Po/w (SILICOS-IT) : 2.55
Consensus Log Po/w : 2.62

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.69
Solubility : 0.069 mg/ml ; 0.000205 mol/l
Class : Soluble
Log S (Ali) : -3.94
Solubility : 0.0391 mg/ml ; 0.000116 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.98
Solubility : 0.00352 mg/ml ; 0.0000104 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 3.38
Signal Word:Danger Class:9
Precautionary Statements:P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P362+P364-P403+P233-P501 UN#:3077
Hazard Statements:H315-H318-H335-H411 Packing Group:
GHS Pictogram: